trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide

C18H26ClNO3 — CID 100733931

IUPACtrans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1Cl
InChIInChI=1S/C18H26ClNO3/c1-4-22-16-9-8-14(11-15(16)19)20-17(21)18(23-5-2)10-6-7-13(3)12-18/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,20,21)/t13-,18+/m0/s1
InChIKeyKPXFCEYLTIYCDL-SCLBCKFNSA-N
MW339.86 g/mol
LogP4.66
Rot. Bonds6

About trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide

trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide (PubChem CID 100733931) has the molecular formula C18H26ClNO3 and a molecular weight of 339.86 g/mol. Its IUPAC name is trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
PubChem CID100733931
Molecular FormulaC18H26ClNO3
Molecular Weight339.86 g/mol
Exact Mass339.16
IUPAC Nametrans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1Cl
InChIInChI=1S/C18H26ClNO3/c1-4-22-16-9-8-14(11-15(16)19)20-17(21)18(23-5-2)10-6-7-13(3)12-18/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,20,21)/t13-,18+/m0/s1
InChIKeyKPXFCEYLTIYCDL-SCLBCKFNSA-N
XLogP4.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.86
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100716342
1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 133246838
cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 100733208
trans-(1S,3R)-N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100733839
methyl 2-ethoxy-5-[[(1R,3R)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100762269
cis-(1R,3R)-N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100733808
trans-(1R,3S)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 125061366
N-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133246423
trans-(1R,3S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707699
cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 100731776
trans-(1S,3R)-N-(3-chloro-4-methoxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707553
cis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707022

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide (CID 100733931) is trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide is CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1Cl.
What is the InChIKey of trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide?
The InChIKey is KPXFCEYLTIYCDL-SCLBCKFNSA-N. The full InChI is InChI=1S/C18H26ClNO3/c1-4-22-16-9-8-14(11-15(16)19)20-17(21)18(23-5-2)10-6-7-13(3)12-18/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,20,21)/t13-,18+/m0/s1.
What are the key properties of trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide?
trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide has a molecular weight of 339.86 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100733931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).